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Categories: tools computational chemistry

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uniprot-database

hxk622

Direct REST API access to UniProt. Protein searches, FASTA retrieval, ID mapping, Swiss-Prot/TrEMBL. For Python workflows with multiple databases, prefer bioservices (unified interface to 40+ services). Use thi...

GitHub

biopython

hxk622

Comprehensive molecular biology toolkit. Use for sequence manipulation, file parsing (FASTA/GenBank/PDB), phylogenetics, and programmatic NCBI/PubMed access (Bio.Entrez). Best for batch processing, custom bioin...

GitHub

rowan

hxk622

Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, pro...

GitHub

airalogy-protocol

airalogy

Expert guide for creating Airalogy Protocols (AIMD), Assigners (Python logic), and Validation Models. Use this to design digital workflows and experiments.

GitHub

life-sciences-connector

dredd-us

Query PubMed and scientific databases for protocols, analyze biological data with Biopython, handle HIPAA-compliant data. Use for biology research, protocol searches, sequence analysis, or scientific data handl...

GitHub

bio-blast

dakesan

NCBI BLAST sequence similarity search using BioPython. Use when a user wants to run BLAST programmatically with blastn/blastp and retrieve results in JSON format.

GitHub

spatialdata

Ketomihine

SpatialData framework for handling spatial multi-modal and multi-scale data. Use this skill for questions about spatial omics data analysis, visualization, and the SpatialData Python ecosystem.

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